SCHEMBL9472732

SCHEMBL9472732

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](OC(C)C(=O)O)[C@@H]1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ TNF P01375 3/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ESR1 P03372 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MDM2 Q00987 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9472679 0.94 TNF (0.41) MAPK1TNFKMT2ALMNAMEN1
SCHEMBL7781941 0.92 KMT2A (0.44) MAPK1TNFKMT2ALMNAMEN1
SCHEMBL9472943 0.87 POLB (0.53) MAPK1TNFKMT2ALMNAMEN1
SCHEMBL9472271 0.85 MAPK1 (0.53) MAPK1TNFKMT2ALMNAALDH1A1
SCHEMBL11170170 0.83 MAPK1 (0.65) MAPK1ALDH1A1POLB
SCHEMBL9472639 0.81 POLB (0.53) MAPK1TNFKMT2ALMNAMEN1
SCHEMBL11170361 0.81 MAPK1 (0.50) MAPK1TNFKMT2ALMNATP53
SCHEMBL7226347 0.78 LMNA (0.45) MAPK1TNFKMT2ALMNAMEN1
SCHEMBL9472134 0.78 MAPK1 (0.54) MAPK1KMT2ALMNAALDH1A1TP53
SCHEMBL7774705 0.76 PTPN1 (0.45) KMT2AMEN1ALDH1A1HPGDPTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264431-A Inhibitors for proteinkinase C CIBA-GEIGY CORP. (US) 1993-11-23 — — US disclosed
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